1-prop-2-enylsulfonylpiperidin-3-amine

C8H16N2O2S — CID 79672606

IUPAC1-prop-2-enylsulfonylpiperidin-3-amine
SMILESC=CCS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h2,8H,1,3-7,9H2
InChIKeyPSSZYRGSWNENAT-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.07
Rot. Bonds3

About 1-prop-2-enylsulfonylpiperidin-3-amine

1-prop-2-enylsulfonylpiperidin-3-amine (PubChem CID 79672606) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-prop-2-enylsulfonylpiperidin-3-amine
PubChem CID79672606
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-prop-2-enylsulfonylpiperidin-3-amine
SMILESC=CCS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h2,8H,1,3-7,9H2
InChIKeyPSSZYRGSWNENAT-UHFFFAOYSA-N
XLogP-0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfonylpiperidin-3-amine?
The IUPAC name of 1-prop-2-enylsulfonylpiperidin-3-amine (CID 79672606) is 1-prop-2-enylsulfonylpiperidin-3-amine.
What is the SMILES notation for 1-prop-2-enylsulfonylpiperidin-3-amine?
The canonical SMILES for 1-prop-2-enylsulfonylpiperidin-3-amine is C=CCS(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 1-prop-2-enylsulfonylpiperidin-3-amine?
The InChIKey is PSSZYRGSWNENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h2,8H,1,3-7,9H2.
What are the key properties of 1-prop-2-enylsulfonylpiperidin-3-amine?
1-prop-2-enylsulfonylpiperidin-3-amine has a molecular weight of 204.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylpiperidin-3-amine is sourced from PubChem (CID 79672606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).